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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:45 UTC
Update Date2025-03-25 00:58:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228256
Frequency0.5
Structure
Chemical FormulaC17H18N3O5+
Molecular Mass344.1241
SMILESC=CC1=C(C)C(=CC2=NC(=C[N+](=O)O)C(CCC(=O)O)=C2C)NC1=O
InChI KeyBEYLVRFCWHQFJZ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • c-nitro compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketimines
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • ketimine
  • carbonyl group
  • lactam
  • carboxylic acid
  • imine
  • allyl-type 1,3-dipolar organic compound
  • carboxylic acid derivative
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • azacycle
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite